Project ID: plumID:19.056
Name: maze
Archive: https://github.com/jakryd/plumed-eggs/raw/master/2019_CPC/2019_CPC.zip
Category: methods
Keywords: maze, ligand unbinding
PLUMED version: 2.6-dev
Contributor: Jakub Rydzewski
Submitted on: 03 Jul 2019
Last revised: 22 Aug 2019
Publication: J. Rydzewski, maze: Heterogeneous ligand unbinding along transient protein tunnels, Computer Physics Communications 247, 106865 (2020)

PLUMED input files

File Compatible with
4w52/plumed.dat tested on v2.6 tested on master
4w53/plumed.dat tested on v2.6 tested on master
4w54/plumed.dat tested on v2.6 tested on master
4w55/plumed.dat tested on v2.6 tested on master
4w56/plumed.dat tested on v2.6 tested on master

Last tested: 13 Dec 2019, 20:32:05

Project description and instructions
For details on how to download and install the maze module for sampling ligand unbinding, see here. The folders in 2019_CPC are labeled by the system PDB ID.

Submission history
[v1] 03 Jul 2019: original submission
[v2] 22 Aug 2019: updated DOI

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plumeDnest:19.056